ChemSpider 2D Image | (9R,12S)-12-[4-(Dimethylamino)phenyl]-9-(2-furyl)-8,9,10,12-tetrahydrobenzo[a]acridin-11(7H)-one | C29H26N2O2

(9R,12S)-12-[4-(Dimethylamino)phenyl]-9-(2-furyl)-8,9,10,12-tetrahydrobenzo[a]acridin-11(7H)-one

  • Molecular FormulaC29H26N2O2
  • Average mass434.529 Da
  • Monoisotopic mass434.199432 Da
  • ChemSpider ID62286122

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(9R,12S)-12-[4-(Dimethylamino)phenyl]-9-(2-furyl)-8,9,10,12-tetrahydrobenzo[a]acridin-11(7H)-on [German] [ACD/IUPAC Name]
(9R,12S)-12-[4-(Dimethylamino)phenyl]-9-(2-furyl)-8,9,10,12-tetrahydrobenzo[a]acridin-11(7H)-one [ACD/IUPAC Name]
(9R,12S)-12-[4-(Diméthylamino)phényl]-9-(2-furyl)-8,9,10,12-tétrahydrobenzo[a]acridin-11(7H)-one [French] [ACD/IUPAC Name]
Benz[a]acridin-11(7H)-one, 12-[4-(dimethylamino)phenyl]-9-(2-furanyl)-8,9,10,12-tetrahydro-, (9R,12S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 617.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 327.2±31.5 °C
Index of Refraction: 1.701
Molar Refractivity: 130.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 5.65
ACD/BCF (pH 5.5): 10956.89
ACD/KOC (pH 5.5): 25211.60
ACD/LogD (pH 7.4): 5.76
ACD/BCF (pH 7.4): 14101.58
ACD/KOC (pH 7.4): 32447.47
Polar Surface Area: 45 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 338.1±5.0 cm3

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